2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid

C13H15FN2O3 — CID 61194866

IUPAC2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
SMILESCCN(C(=O)Nc1cc(F)ccc1C(=O)O)C1CC1
InChIInChI=1S/C13H15FN2O3/c1-2-16(9-4-5-9)13(19)15-11-7-8(14)3-6-10(11)12(17)18/h3,6-7,9H,2,4-5H2,1H3,(H,15,19)(H,17,18)
InChIKeyUXIBWRFENWAULP-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.54
Rot. Bonds4

About 2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid

2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid (PubChem CID 61194866) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
PubChem CID61194866
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
SMILESCCN(C(=O)Nc1cc(F)ccc1C(=O)O)C1CC1
InChIInChI=1S/C13H15FN2O3/c1-2-16(9-4-5-9)13(19)15-11-7-8(14)3-6-10(11)12(17)18/h3,6-7,9H,2,4-5H2,1H3,(H,15,19)(H,17,18)
InChIKeyUXIBWRFENWAULP-UHFFFAOYSA-N
XLogP2.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid
CID 61194119
2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid
CID 61443329
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63656160
3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea
CID 60805584
2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61405932
2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63692374
4-fluoro-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]benzoic acid
CID 61425387
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid
CID 115412060
2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid
CID 43358568
2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-fluorobenzoic acid
CID 61199192
4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61196555
2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 54978295

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid?
The IUPAC name of 2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid (CID 61194866) is 2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid?
The canonical SMILES for 2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid is CCN(C(=O)Nc1cc(F)ccc1C(=O)O)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid?
The InChIKey is UXIBWRFENWAULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-2-16(9-4-5-9)13(19)15-11-7-8(14)3-6-10(11)12(17)18/h3,6-7,9H,2,4-5H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid?
2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid has a molecular weight of 266.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid is sourced from PubChem (CID 61194866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).